TL;DR: 1H-Indazole, 3-(4-methyl-1-piperazinyl)-6-nitro-, monohydrochloride (CAS 121879-78-5) is a chemical compound with molecular formula C12H16ClN5O2 and molecular weight 297.09924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylpiperazin-1-yl)-6-nitro-1H-indazole;hydrochloride
Also Known As: 1H-Indazole, 3-(4-methyl-1-piperazinyl)-6-nitro-, monohydrochloride, 3-(4-Methyl-1-piperazinyl)-6-nitro-1H-indazole monohydrochloride, 3-(N-Methylpiperazino)-6-nitroindazol monohydrochlorid, 3-(N-Methylpiperazino)-6-nitroindazol monohydrochlorid [German], 3-(4-methylpiperazin-1-yl)-6-nitro-1H-indazole hydrochloride
| Molecular Formula | C12H16ClN5O2 |
| Molecular Weight | 297.09924 g/mol |
| XLogP | 1.6447 |
| Topological Polar Surface Area (TPSA) | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.09924 Da |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
| SMILES | CN1CCN(CC1)C2=NNC3=C2C=CC(=C3)[N+](=O)[O-].Cl |
| InChIKey | LQWICVILKCINEX-UHFFFAOYSA-N |
The XLogP value of 1.6447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indazole, 3-(4-methyl-1-piperazinyl)-6-nitro-, monohydrochloride. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indazole, 3-(4-methyl-1-piperazinyl)-6-nitro-, monohydrochloride. Following Lipinski's Rule of Five, 1H-Indazole, 3-(4-methyl-1-piperazinyl)-6-nitro-, monohydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Indazole, 3-(4-methyl-1-piperazinyl)-6-nitro-, monohydrochloride is 121879-78-5.
The molecular formula of 1H-Indazole, 3-(4-methyl-1-piperazinyl)-6-nitro-, monohydrochloride is C12H16ClN5O2.
The molecular weight of 1H-Indazole, 3-(4-methyl-1-piperazinyl)-6-nitro-, monohydrochloride is 297.09924 g/mol.
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